D02DFT -OEChem-10101305022D 35 37 0 0 0 0 0 0 0999 V2000 4.0421 0.1671 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -4.4206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 1.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 1.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -1.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -1.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -3.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -2.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -2.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 2.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 1.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 2.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 3.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -4.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2498 -0.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 1.6198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -1.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 -1.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -3.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 -3.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 2.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 1.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 4.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 2.5669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 -4.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4072 -5.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 -5.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0272 -4.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 4.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 19 1 0 0 0 0 2 35 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 15 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 11 14 2 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 M END $$$$